Molecule ID: mol34476

SMILES: CC(C)NCC(COc1cccc2ccccc12)OC(=O)C1CC1

InChI: InChI=1S/C20H25NO3/c1-14(2)21-12-17(24-20(22)16-10-11-16)13-23-19-9-5-7-15-6-3-4-8-18(15)19/h3-9,14,16-17,21H,10-13H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 QSARToolbox 1 » 0
8.72 QSARToolbox 1 » 0
8.72 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization